General Information of the Compound
| Compound ID |
CP0918555
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| Compound Name |
N-{5-[(R)-2-(1-{4-[2-(N',N'-Dimethyl-guanidino)-4-oxo-4H-thiazol-5-ylidenemethyl]-phenyl}-piperidin-4-ylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-methanesulfonamide
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| Structure |
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| Formula |
C27H35N7O5S2
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| Molecular Weight |
601.755
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| Canonical SMILES |
CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(C)(=O)=O)c4)CC3)cc2)S1
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| InChI |
InChI=1S/C27H35N7O5S2/c1-33(2)26(28)31-27-30-25(37)24(40-27)14-17-4-7-20(8-5-17)34-12-10-19(11-13-34)29-16-23(36)18-6-9-22(35)21(15-18)32-41(3,38)39/h4-9,14-15,19,23,29,32,35-36H,10-13,16H2,1-3H3,(H2,28,30,31,37)/b24-14-/t23-/m0/s1
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| InChIKey |
ZXLPWBPSPFVQCK-UGZUYNBGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound